2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenyl-N-propan-2-ylacetamide

C18H21N5O — CID 657676

IUPAC2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenyl-N-propan-2-ylacetamide
SMILESCc1cc(C)nc(N(C#N)CC(=O)N(c2ccccc2)C(C)C)n1
InChIInChI=1S/C18H21N5O/c1-13(2)23(16-8-6-5-7-9-16)17(24)11-22(12-19)18-20-14(3)10-15(4)21-18/h5-10,13H,11H2,1-4H3
InChIKeyRCTUBYQDUKMGEA-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.82
Rot. Bonds5

About 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenyl-N-propan-2-ylacetamide

2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 657676) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenyl-N-propan-2-ylacetamide
PubChem CID657676
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenyl-N-propan-2-ylacetamide
SMILESCc1cc(C)nc(N(C#N)CC(=O)N(c2ccccc2)C(C)C)n1
InChIInChI=1S/C18H21N5O/c1-13(2)23(16-8-6-5-7-9-16)17(24)11-22(12-19)18-20-14(3)10-15(4)21-18/h5-10,13H,11H2,1-4H3
InChIKeyRCTUBYQDUKMGEA-UHFFFAOYSA-N
XLogP2.82
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-Fluorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine
CID 3165129
N-[4-(4,6-Dimethyl-pyrimidin-2-ylamino)-phenyl]-acetamide
CID 734481
2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3-p-tolyl-3,5-dihydro-imidazol-4-one
CID 915125
N-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]acetamide
CID 3240772
3-methyl-2-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005629
3-(4,6-Dimethylpyrimidin-2-yl)-1-ethyl-1-phenylguanidine
CID 9593725
N-{4-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidamido]phenyl}propanamide
CID 9600790
2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-phenyl-4H-imidazol-5-one
CID 658477
2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3-m-tolyl-3,5-dihydro-imidazol-4-one
CID 915367
4-Methyl-6-(4-phenylpiperazin-1-yl)-2-propylpyrimidine
CID 24761619
N-[1-[6-butyl-2-(4-methylanilino)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide
CID 44526643
2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N-phenyl-N-propan-2-ylacetamide
CID 1900779

Frequently Asked Questions

What is the IUPAC name of 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenyl-N-propan-2-ylacetamide (CID 657676) is 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenyl-N-propan-2-ylacetamide is Cc1cc(C)nc(N(C#N)CC(=O)N(c2ccccc2)C(C)C)n1.
What is the InChIKey of 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is RCTUBYQDUKMGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13(2)23(16-8-6-5-7-9-16)17(24)11-22(12-19)18-20-14(3)10-15(4)21-18/h5-10,13H,11H2,1-4H3.
What are the key properties of 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenyl-N-propan-2-ylacetamide?
2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 323.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 657676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).